Koumine
AlkaPlorer ID: AK023338
Synonym: None
IUPAC Name: (1S,10S,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
Structure
SMILES: C=C[C@@]12CN(C)[C@H]3C[C@]14C(=NC1=CC=CC=C14)[C@@H]1C[C@@H]2[C@@H]3CO1
InChI: InChI=1S/C20H22N2O/c1-3-19-11-22(2)16-9-20(19)13-6-4-5-7-15(13)21-18(20)17-8-14(19)12(16)10-23-17/h3-7,12,14,16-17H,1,8-11H2,2H3/t12-,14+,16-,17-,19-,20-/m0/s1
InChIKey: VTLYEMHGPMGUOT-XMHJOAAQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium elegans | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 306.40900000000005
TPSA？: 24.83
MolLogP？: 2.935500000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | EC50 | 100000.0 | nM | 10.1021/np060016o |